4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline

C15H17ClN2 — CID 55184612

IUPAC4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCCC2CCl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeyAQBVAXSSVXNPPI-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.75
Rot. Bonds2

About 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline

4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline (PubChem CID 55184612) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
PubChem CID55184612
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
SMILESCc1cc(N2CCCC2CCl)c2ccccc2n1
InChIInChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeyAQBVAXSSVXNPPI-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline (CID 55184612) is 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline.
What is the SMILES notation for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The canonical SMILES for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline is Cc1cc(N2CCCC2CCl)c2ccccc2n1.
What is the InChIKey of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
The InChIKey is AQBVAXSSVXNPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-9-15(18-8-4-5-12(18)10-16)13-6-2-3-7-14(13)17-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3.
What are the key properties of 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline?
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline has a molecular weight of 260.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline is sourced from PubChem (CID 55184612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).